N-(2-azanylethyl)-1-[2-(4-methoxyphenyl)ethanoyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[2-(4-methoxyphenyl)ethanoyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-4-(4-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)-1-oxoethyl]-4-(pyridin-4-ylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-4-(4-pyridylmethyl)piperazine-2-carboxamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=NC=C3

InChI

InChI=1S/C22H29N5O3/c1-30-19-4-2-17(3-5-19)14-21(28)27-13-12-26(15-18-6-9-24-10-7-18)16-20(27)22(29)25-11-8-23/h2-7,9-10,20H,8,11-16,23H2,1H3,(H,25,29)