3-[3-azanyl-2-ethanoyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazol-5-yl]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-[3-azanyl-2-ethanoyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazol-5-yl]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-[2-acetyl-3-amino-4-(p-tolylmethyl)-3,4-dihydropyrazol-5-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-[2-acetyl-3-amino-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazol-5-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-[2-acetyl-3-amino-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazol-5-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-[1-acetyl-5-amino-4-(4-methylbenzyl)-2-pyrazolin-3-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C29H28ClN5O2 MolecularWeight: 514.01792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(N(N=C2C3C(=O)N(C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5)C)C(=O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)CC2C(N(N=C2C3C(=O)N(C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5)C)C(=O)C)N

InChI

InChI=1S/C29H28ClN5O2/c1-17-9-11-19(12-10-17)15-23-26(33-35(18(2)36)28(23)31)27-29(37)34(3)24-14-13-21(30)16-22(24)25(32-27)20-7-5-4-6-8-20/h4-14,16,23,27-28H,15,31H2,1-3H3