1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-4-(1H-indol-3-yl)butan-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3/c1-30-21-10-11-24(31-2)20(16-21)18-27-12-14-28(15-13-27)25(29)9-5-6-19-17-26-23-8-4-3-7-22(19)23/h3-4,7-8,10-11,16-17,26H,5-6,9,12-15,18H2,1-2H3