N-[[3-(aminomethyl)phenyl]methyl]-2-butan-2-yl-1-(3-cyclopentylpropanoyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-butan-2-yl-1-(3-cyclopentylpropanoyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-cyclopentylpropanoyl)-3-oxo-2-sec-butyl-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-butan-2-yl-1-(3-cyclopentyl-1-oxopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-butan-2-yl-1-(3-cyclopentylpropanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(3-cyclopentylpropanoyl)-3-keto-2-sec-butyl-2,4-dihydroquinoxaline-6-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1C(=O)CCC3CCCC3)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

Isomeric SMILES

CCC(C)C1C(=O)NC2=C(N1C(=O)CCC3CCCC3)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

InChI

InChI=1S/C29H38N4O3/c1-3-19(2)27-29(36)32-24-16-23(28(35)31-18-22-10-6-9-21(15-22)17-30)12-13-25(24)33(27)26(34)14-11-20-7-4-5-8-20/h6,9-10,12-13,15-16,19-20,27H,3-5,7-8,11,14,17-18,30H2,1-2H3,(H,31,35)(H,32,36)