1-(3-cyclopentylpropanoylamino)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexane-1-carboxamide

Systemtic Name: 1-(3-cyclopentylpropanoylamino)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexane-1-carboxamide Openeye Name: 1-(3-cyclopentylpropanoylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexanecarboxamide CAS Name: 1-[(3-cyclopentyl-1-oxopropyl)amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-cyclohexanecarboxamide IUPAC Name: 1-(3-cyclopentylpropanoylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexane-1-carboxamide Traditional Name: 1-(3-cyclopentylpropanoylamino)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexanecarboxamide Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NC(=O)CCC4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NC(=O)CCC4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H38N4O3/c1-35-25-17-9-8-16-24(25)27(23-14-4-2-5-15-23)32-28(29(35)37)33-30(38)31(20-10-3-11-21-31)34-26(36)19-18-22-12-6-7-13-22/h2,4-5,8-9,14-17,22,28H,3,6-7,10-13,18-21H2,1H3,(H,33,38)(H,34,36)