N-[[3-(aminomethyl)phenyl]methyl]-1-(3-chlorophenyl)carbonyl-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxaline-6-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-chlorophenyl)carbonyl-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-chlorobenzoyl)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(3-chlorophenyl)-oxomethyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-chlorobenzoyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(3-chlorobenzoyl)-2-isopropyl-3-keto-2,4-dihydroquinoxaline-6-carboxamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(N1C(=O)C3=CC(=CC=C3)Cl)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

Isomeric SMILES

CC(C)C1C(=O)NC2=C(N1C(=O)C3=CC(=CC=C3)Cl)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

InChI

InChI=1S/C27H27ClN4O3/c1-16(2)24-26(34)31-22-13-19(25(33)30-15-18-6-3-5-17(11-18)14-29)9-10-23(22)32(24)27(35)20-7-4-8-21(28)12-20/h3-13,16,24H,14-15,29H2,1-2H3,(H,30,33)(H,31,34)