4-[butyl-(phenylmethyl)amino]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[butyl-(phenylmethyl)amino]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-[benzyl(butyl)amino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 4-[butyl-(phenylmethyl)amino]-1-(3-methoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[benzyl(butyl)amino]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[benzyl(butyl)amino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C25H32N2O MolecularWeight: 376.53438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O/c1-3-4-17-27(19-21-9-6-5-7-10-21)23-13-15-25(20-26,16-14-23)22-11-8-12-24(18-22)28-2/h5-12,18,23H,3-4,13-17,19H2,1-2H3