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

Systemtic Name: 3-butan-2-yl-7-chloranyl-1-[(3-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(m-tolylmethyl)-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-butan-2-yl-7-chloro-1-[(3-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-butan-2-yl-7-chloro-1-[(3-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(3-methylbenzyl)-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-2-one Formula: C27H27ClN2O MolecularWeight: 430.96908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C27H27ClN2O/c1-4-19(3)25-27(31)30(17-20-10-8-9-18(2)15-20)24-14-13-22(28)16-23(24)26(29-25)21-11-6-5-7-12-21/h5-16,19,25H,4,17H2,1-3H3