[4-(azepan-1-ylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylmethyl)phenyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCCCC4

InChI

InChI=1S/C25H33N3O2/c1-30-24-9-5-4-8-23(24)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)20-26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-20H2,1H3