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

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2,3,4-trimethoxybenzyl)piperazino]butan-1-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-31-23-12-11-20(25(32-2)26(23)33-3)18-28-13-15-29(16-14-28)24(30)10-6-7-19-17-27-22-9-5-4-8-21(19)22/h4-5,8-9,11-12,17,27H,6-7,10,13-16,18H2,1-3H3