4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-4-carbonitrile

Systemtic Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-4-carbonitrile Openeye Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-4-carbonitrile CAS Name: 4-[3-(aminomethyl)phenyl]-1-[oxo-(5-phenethyl-3-pyridinyl)methyl]-4-piperidinecarbonitrile IUPAC Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-4-carbonitrile Traditional Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylnicotinoyl)isonipecotonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC(=CC=C2)CN)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC(=CC=C2)CN)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c28-17-22-7-4-8-25(16-22)27(20-29)11-13-31(14-12-27)26(32)24-15-23(18-30-19-24)10-9-21-5-2-1-3-6-21/h1-8,15-16,18-19H,9-14,17,28H2