1-[[5-[[4-(2-butoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[[4-(2-butoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[[4-(2-butoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[4-(2-butoxyphenyl)-1-piperazinyl]methyl]-1-methyl-2-pyrrolyl]methyl]-2-azepanone IUPAC Name: 1-[[5-[[4-(2-butoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(2-butoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCC4=O

Isomeric SMILES

CCCCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCC4=O

InChI

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