N-(2-azanylethyl)-1-(2-phenylethanoyl)-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-phenylethanoyl)-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-phenylacetyl)-4-(4-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(1-oxo-2-phenylethyl)-4-(pyridin-4-ylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-phenylacetyl)-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-phenylacetyl)-4-(4-pyridylmethyl)piperazine-2-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1CC2=CC=NC=C2)C(=O)NCCN)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c22-8-11-24-21(28)19-16-25(15-18-6-9-23-10-7-18)12-13-26(19)20(27)14-17-4-2-1-3-5-17/h1-7,9-10,19H,8,11-16,22H2,(H,24,28)