3-[(4-butylphenyl)amino]azepan-2-one

Systemtic Name: 3-[(4-butylphenyl)amino]azepan-2-one Openeye Name: 3-(4-butylanilino)azepan-2-one CAS Name: 3-(4-butylanilino)-2-azepanone IUPAC Name: 3-(4-butylanilino)azepan-2-one Traditional Name: 3-(4-butylanilino)azepan-2-one Formula: C16H24N2O MolecularWeight: 260.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2CCCCNC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2CCCCNC2=O

InChI

InChI=1S/C16H24N2O/c1-2-3-6-13-8-10-14(11-9-13)18-15-7-4-5-12-17-16(15)19/h8-11,15,18H,2-7,12H2,1H3,(H,17,19)