N2-(2-azanylethyl)-N1-(3-methoxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-methoxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-methoxyphenyl)-4-(4-pyridylmethyl)piperazine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-methoxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-methoxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-methoxyphenyl)-4-(4-pyridylmethyl)piperazine-1,2-dicarboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3/c1-30-18-4-2-3-17(13-18)25-21(29)27-12-11-26(14-16-5-8-23-9-6-16)15-19(27)20(28)24-10-7-22/h2-6,8-9,13,19H,7,10-12,14-15,22H2,1H3,(H,24,28)(H,25,29)