2-[1-(4-azanylbutyl)-2-(phenylmethyl)indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one; ethanoic acid

Systemtic Name: 2-[1-(4-azanylbutyl)-2-(phenylmethyl)indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one; ethanoic acid Openeye Name: acetic acid; 2-[1-(4-aminobutyl)-2-benzyl-indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one CAS Name: acetic acid; 2-[1-(4-aminobutyl)-2-(phenylmethyl)-3-indolyl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one IUPAC Name: acetic acid; 2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one Traditional Name: acetic acid; 2-[1-(4-aminobutyl)-2-benzyl-indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one Formula: C32H34N4O3 MolecularWeight: 522.63736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC2=CC3=C(C=C2C1)N=C(C(=O)N3)C4=C(N(C5=CC=CC=C54)CCCCN)CC6=CC=CC=C6

Isomeric SMILES

CC(=O)O.C1CC2=CC3=C(C=C2C1)N=C(C(=O)N3)C4=C(N(C5=CC=CC=C54)CCCCN)CC6=CC=CC=C6

InChI

InChI=1S/C30H30N4O.C2H4O2/c31-15-6-7-16-34-26-14-5-4-13-23(26)28(27(34)17-20-9-2-1-3-10-20)29-30(35)33-25-19-22-12-8-11-21(22)18-24(25)32-29;1-2(3)4/h1-5,9-10,13-14,18-19H,6-8,11-12,15-17,31H2,(H,33,35);1H3,(H,3,4)