3-[1-(3-azanylpropyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-3-indolyl]-7-phenyl-1H-quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)indol-3-yl]-7-phenyl-1H-quinoxalin-2-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(C(=O)N3)C4=CN(C5=CC=CC=C54)CCCN

InChI

InChI=1S/C25H22N4O.C2H4O2/c26-13-6-14-29-16-20(19-9-4-5-10-23(19)29)24-25(30)28-22-15-18(11-12-21(22)27-24)17-7-2-1-3-8-17;1-2(3)4/h1-5,7-12,15-16H,6,13-14,26H2,(H,28,30);1H3,(H,3,4)