1-[[1-methyl-5-[[4-(phenylmethyl)piperidin-1-yl]methyl]pyrrol-2-yl]methyl]azepane

Systemtic Name: 1-[[1-methyl-5-[[4-(phenylmethyl)piperidin-1-yl]methyl]pyrrol-2-yl]methyl]azepane Openeye Name: 1-[[5-[(4-benzyl-1-piperidyl)methyl]-1-methyl-pyrrol-2-yl]methyl]azepane CAS Name: 1-[[1-methyl-5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-pyrrolyl]methyl]azepane IUPAC Name: 1-[[5-[(4-benzylpiperidin-1-yl)methyl]-1-methylpyrrol-2-yl]methyl]azepane Traditional Name: 1-[[5-[(4-benzylpiperidino)methyl]-1-methyl-pyrrol-2-yl]methyl]azepane Formula: C25H37N3 MolecularWeight: 379.58138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1CN2CCC(CC2)CC3=CC=CC=C3)CN4CCCCCC4

Isomeric SMILES

CN1C(=CC=C1CN2CCC(CC2)CC3=CC=CC=C3)CN4CCCCCC4

InChI

InChI=1S/C25H37N3/c1-26-24(20-27-15-7-2-3-8-16-27)11-12-25(26)21-28-17-13-23(14-18-28)19-22-9-5-4-6-10-22/h4-6,9-12,23H,2-3,7-8,13-21H2,1H3