N-(3-methoxypropyl)-3-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-(3-methoxypropyl)-3-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(3-methoxypropyl)-3-[[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]piperazin-1-yl]methyl]benzamide CAS Name: N-(3-methoxypropyl)-3-[[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-(3-methoxypropyl)-3-[[4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-(3-methoxypropyl)-3-[[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]piperazino]methyl]benzamide Formula: C27H38N6O3 MolecularWeight: 494.62902

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

COCCCNC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C27H38N6O3/c1-36-19-3-8-29-26(34)25-5-2-4-24(20-25)22-31-13-17-33(18-14-31)27(35)32-15-11-30(12-16-32)21-23-6-9-28-10-7-23/h2,4-7,9-10,20H,3,8,11-19,21-22H2,1H3,(H,29,34)