2-butyl-3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C41H44N4O4 MolecularWeight: 656.81246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C41H44N4O4/c1-2-3-22-33(38(42)46)35(26-28-14-12-15-28)40(47)44-39-41(48)45(27-29-16-13-21-32(25-29)49-31-19-8-5-9-20-31)36-24-11-10-23-34(36)37(43-39)30-17-6-4-7-18-30/h4-11,13,16-21,23-25,28,33,35,39H,2-3,12,14-15,22,26-27H2,1H3,(H2,42,46)(H,44,47)