3-[1-(3-azanylpropyl)-5-[bis(phenylmethyl)amino]indol-3-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)-5-[bis(phenylmethyl)amino]indol-3-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-5-[bis(phenylmethyl)amino]-3-indolyl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-6,7,8,9-tetrahydro-1H-benzo[g]quinoxalin-2-one Formula: C39H41N5O3 MolecularWeight: 627.77454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCC2=CC3=C(C=C2C1)NC(=O)C(=N3)C4=CN(C5=C4C=C(C=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7)CCCN

Isomeric SMILES

CC(=O)O.C1CCC2=CC3=C(C=C2C1)NC(=O)C(=N3)C4=CN(C5=C4C=C(C=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7)CCCN

InChI

InChI=1S/C37H37N5O.C2H4O2/c38-18-9-19-41-25-32(36-37(43)40-34-21-29-15-8-7-14-28(29)20-33(34)39-36)31-22-30(16-17-35(31)41)42(23-26-10-3-1-4-11-26)24-27-12-5-2-6-13-27;1-2(3)4/h1-6,10-13,16-17,20-22,25H,7-9,14-15,18-19,23-24,38H2,(H,40,43);1H3,(H,3,4)