[3-(3,4-dimethoxyphenyl)-3-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)azepan-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [3-(3,4-dimethoxyphenyl)-3-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)azepan-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [3-(3,4-dimethoxyphenyl)-3-ethyl-2-[4-(1-piperidyl)-1-piperidyl]azepan-1-yl]-(2-methoxyphenyl)methanone CAS Name: [3-(3,4-dimethoxyphenyl)-3-ethyl-2-[4-(1-piperidinyl)-1-piperidinyl]-1-azepanyl]-(2-methoxyphenyl)methanone IUPAC Name: [3-(3,4-dimethoxyphenyl)-3-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)azepan-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [3-(3,4-dimethoxyphenyl)-3-ethyl-2-(4-piperidinopiperidino)azepan-1-yl]-(2-methoxyphenyl)methanone Formula: C34H49N3O4 MolecularWeight: 563.77056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1N2CCC(CC2)N3CCCCC3)C(=O)C4=CC=CC=C4OC)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCC1(CCCCN(C1N2CCC(CC2)N3CCCCC3)C(=O)C4=CC=CC=C4OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C34H49N3O4/c1-5-34(26-15-16-30(40-3)31(25-26)41-4)19-9-12-22-37(32(38)28-13-7-8-14-29(28)39-2)33(34)36-23-17-27(18-24-36)35-20-10-6-11-21-35/h7-8,13-16,25,27,33H,5-6,9-12,17-24H2,1-4H3