5-[butyl-(phenylmethyl)amino]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azepan-2-one

Systemtic Name: 5-[butyl-(phenylmethyl)amino]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azepan-2-one Openeye Name: 5-[benzyl(butyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one CAS Name: 5-[butyl-(phenylmethyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-azepanone IUPAC Name: 5-[benzyl(butyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Traditional Name: 5-[benzyl(butyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C25H31ClN2O3/c1-2-3-12-27(16-19-7-5-4-6-8-19)21-9-10-25(29)28(13-11-21)17-20-14-23-24(15-22(20)26)31-18-30-23/h4-8,14-15,21H,2-3,9-13,16-18H2,1H3