2-[4-[1-[2-[(4-chloranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-4-[4-(3-oxidanylidene-5-phenyl-1H-1,2,4-triazol-2-yl)piperidin-1-yl]butanoyl]piperidin-4-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-[2-[(4-chloranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-4-[4-(3-oxidanylidene-5-phenyl-1H-1,2,4-triazol-2-yl)piperidin-1-yl]butanoyl]piperidin-4-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-[2-[(4-chloro-3-methyl-phenyl)methyl]-4-oxo-4-[4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)-1-piperidyl]butanoyl]-4-piperidyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-[2-[(4-chloro-3-methylphenyl)methyl]-1,4-dioxo-4-[4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)-1-piperidinyl]butyl]-4-piperidinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-[2-[(4-chloro-3-methylphenyl)methyl]-4-oxo-4-[4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)piperidin-1-yl]butanoyl]piperidin-4-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[1-[2-(4-chloro-3-methyl-benzyl)-4-keto-4-[4-(3-keto-5-phenyl-1H-1,2,4-triazol-2-yl)piperidino]butanoyl]-4-piperidyl]piperazino]acetic acid Formula: C36H46ClN7O5 MolecularWeight: 692.24734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(CC(=O)N2CCC(CC2)N3C(=O)N=C(N3)C4=CC=CC=C4)C(=O)N5CCC(CC5)N6CCN(CC6)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CC(CC(=O)N2CCC(CC2)N3C(=O)N=C(N3)C4=CC=CC=C4)C(=O)N5CCC(CC5)N6CCN(CC6)CC(=O)O)Cl

InChI

InChI=1S/C36H46ClN7O5/c1-25-21-26(7-8-31(25)37)22-28(35(48)43-15-9-29(10-16-43)41-19-17-40(18-20-41)24-33(46)47)23-32(45)42-13-11-30(12-14-42)44-36(49)38-34(39-44)27-5-3-2-4-6-27/h2-8,21,28-30H,9-20,22-24H2,1H3,(H,46,47)(H,38,39,49)