N-(1-butyl-5-tert-butyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide

Systemtic Name: N-(1-butyl-5-tert-butyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide Openeye Name: N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-(4-methylpentanoylamino)cyclopentanecarboxamide CAS Name: N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[(4-methyl-1-oxopentyl)amino]-1-cyclopentanecarboxamide IUPAC Name: N-(1-butyl-5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide Traditional Name: N-(1-butyl-5-tert-butyl-2-keto-3H-1,4-benzodiazepin-3-yl)-1-(4-methylpentanoylamino)cyclopentanecarboxamide Formula: C29H44N4O3 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCC3)NC(=O)CCC(C)C)C(C)(C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCC3)NC(=O)CCC(C)C)C(C)(C)C

InChI

InChI=1S/C29H44N4O3/c1-7-8-19-33-22-14-10-9-13-21(22)24(28(4,5)6)30-25(26(33)35)31-27(36)29(17-11-12-18-29)32-23(34)16-15-20(2)3/h9-10,13-14,20,25H,7-8,11-12,15-19H2,1-6H3,(H,31,36)(H,32,34)