3-[3-azanyl-2-ethanoyl-4-(phenylmethyl)-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-(phenylmethyl)-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-benzyl-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-(phenylmethyl)-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-benzyl-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-benzyl-2-pyrazolin-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C28H26ClN5O2 MolecularWeight: 499.99134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(=N1)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C)CC5=CC=CC=C5)N

Isomeric SMILES

CC(=O)N1C(C(C(=N1)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C)CC5=CC=CC=C5)N

InChI

InChI=1S/C28H26ClN5O2/c1-17(35)34-27(30)22(15-18-9-5-3-6-10-18)25(32-34)26-28(36)33(2)23-14-13-20(29)16-21(23)24(31-26)19-11-7-4-8-12-19/h3-14,16,22,26-27H,15,30H2,1-2H3