5-[butyl-(phenylmethyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one

Systemtic Name: 5-[butyl-(phenylmethyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Openeye Name: 5-[benzyl(butyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one CAS Name: 5-[butyl-(phenylmethyl)amino]-1-[(4-methoxyphenyl)methyl]-2-azepanone IUPAC Name: 5-[benzyl(butyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Traditional Name: 5-[benzyl(butyl)amino]-1-p-anisyl-azepan-2-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H34N2O2/c1-3-4-17-26(19-21-8-6-5-7-9-21)23-12-15-25(28)27(18-16-23)20-22-10-13-24(29-2)14-11-22/h5-11,13-14,23H,3-4,12,15-20H2,1-2H3