2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-phenylpropanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[(1-oxo-3-phenylpropyl)amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(hydrocinnamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C33H35N5O3 MolecularWeight: 549.6627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C33H35N5O3/c1-41-31-12-6-5-11-30(31)38-20-18-37(19-21-38)29-15-14-27(36-32(39)16-13-25-8-3-2-4-9-25)22-28(29)33(40)35-24-26-10-7-17-34-23-26/h2-12,14-15,17,22-23H,13,16,18-21,24H2,1H3,(H,35,40)(H,36,39)