3-azanyl-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxy-methyl]piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxy-methyl]piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxy-methyl]-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxymethyl]-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxymethyl]piperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-chlorophenyl)-1-[(cyanoamino)-phenoxy-methyl]-4-piperidyl]methyl]pyrazinamide Formula: C25H26ClN7O2 MolecularWeight: 491.97264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)Cl)C(NC#N)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)Cl)C(NC#N)OC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN7O2/c26-19-6-4-5-18(15-19)25(16-31-23(34)21-22(28)30-12-11-29-21)9-13-33(14-10-25)24(32-17-27)35-20-7-2-1-3-8-20/h1-8,11-12,15,24,32H,9-10,13-14,16H2,(H2,28,30)(H,31,34)