N-(2-azanylethyl)-1-[2-(3-methoxyphenyl)ethanoyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[2-(3-methoxyphenyl)ethanoyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)acetyl]-4-(4-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)-1-oxoethyl]-4-(pyridin-4-ylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)acetyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-[2-(3-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=CC(=C1)CC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

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