N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-[4-[oxo-(prop-2-enylamino)methyl]-1-(phenylmethyl)-4-piperidinyl]-N-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: N-[1-benzyl-4-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-(4-pyridylmethyl)nicotinamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N(CC3=CC=NC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C=CCNC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N(CC3=CC=NC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H31N5O2/c1-2-14-31-27(35)28(12-18-32(19-13-28)21-23-7-4-3-5-8-23)33(22-24-10-16-29-17-11-24)26(34)25-9-6-15-30-20-25/h2-11,15-17,20H,1,12-14,18-19,21-22H2,(H,31,35)