1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-benzyloxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propan-1-one Traditional Name: 3-(3-benzoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-piperonylpiperazino)propan-1-one Formula: C38H39N3O4 MolecularWeight: 601.73396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC(=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC(=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C38H39N3O4/c1-2-29-10-7-13-32-34(23-39-38(29)32)33(30-11-6-12-31(21-30)43-25-27-8-4-3-5-9-27)22-37(42)41-18-16-40(17-19-41)24-28-14-15-35-36(20-28)45-26-44-35/h3-15,20-21,23,33,39H,2,16-19,22,24-26H2,1H3