(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C30H34N6O2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN([C@H](CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C30H34N6O2/c31-14-16-34-29(37)28-19-27(13-18-36(28)30(38)26-7-4-15-33-21-26)35(17-12-23-5-2-1-3-6-23)22-25-10-8-24(20-32)9-11-25/h1-11,15,21,27-28H,12-14,16-19,22,31H2,(H,34,37)/t27?,28-/m1/s1