1-methyl-N-[1-(3-methylbutylcarbamoyl)cyclopentyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide

Systemtic Name: 1-methyl-N-[1-(3-methylbutylcarbamoyl)cyclopentyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Openeye Name: N-[1-(isopentylcarbamoyl)cyclopentyl]-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide CAS Name: 1-methyl-N-[1-[(3-methylbutylamino)-oxomethyl]cyclopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide IUPAC Name: 1-methyl-N-[1-(3-methylbutylcarbamoyl)cyclopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Traditional Name: N-[1-(isoamylcarbamoyl)cyclopentyl]-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Formula: C28H35N4O3+ MolecularWeight: 475.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)CCNC(=O)C1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4O3/c1-20(2)15-18-29-26(34)28(16-9-10-17-28)31-27(35)32(3)23-14-8-7-13-22(23)25(30-19-24(32)33)21-11-5-4-6-12-21/h4-8,11-14,20H,9-10,15-19H2,1-3H3,(H-,29,31,34,35)/p+1