N-[5-butyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide

Systemtic Name: N-[5-butyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide Openeye Name: N-[5-butyl-2-oxo-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-(4-methylpentanoylamino)cyclopentanecarboxamide CAS Name: N-[5-butyl-2-oxo-1-(2-pyridinylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-[(4-methyl-1-oxopentyl)amino]-1-cyclopentanecarboxamide IUPAC Name: N-[5-butyl-2-oxo-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-(4-methylpentanoylamino)cyclopentane-1-carboxamide Traditional Name: N-[5-butyl-2-keto-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]-1-(4-methylpentanoylamino)cyclopentanecarboxamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N(C2=CC=CC=C21)CC3=CC=CC=N3)NC(=O)C4(CCCC4)NC(=O)CCC(C)C

Isomeric SMILES

CCCCC1=NC(C(=O)N(C2=CC=CC=C21)CC3=CC=CC=N3)NC(=O)C4(CCCC4)NC(=O)CCC(C)C

InChI

InChI=1S/C31H41N5O3/c1-4-5-14-25-24-13-6-7-15-26(24)36(21-23-12-8-11-20-32-23)29(38)28(33-25)34-30(39)31(18-9-10-19-31)35-27(37)17-16-22(2)3/h6-8,11-13,15,20,22,28H,4-5,9-10,14,16-19,21H2,1-3H3,(H,34,39)(H,35,37)