1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]azocan-2-one

Systemtic Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]azocan-2-one Openeye Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]azocan-2-one CAS Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-pyrrolyl]methyl]-2-azocanone IUPAC Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]azocan-2-one Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]azocan-2-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCCC4=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCCC4=O

InChI

InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3