N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-[(3-cyanophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-[(3-cyanophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-[(3-cyanophenyl)methyl]piperidine-4-carboxamide CAS Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-cyanophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-cyanophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-(3-cyanobenzyl)isonipecotamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23ClN4O2/c1-28-20-11-18(24)17(22)10-19(20)25-21(27)16-5-7-26(8-6-16)13-15-4-2-3-14(9-15)12-23/h2-4,9-11,16H,5-8,13,24H2,1H3,(H,25,27)