5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(3-phenylpropanoylamino)-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[(1-oxo-3-phenylpropyl)amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(3-phenylpropanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(hydrocinnamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H28N4O2/c31-25(13-10-20-7-2-1-3-8-20)29-22-11-12-24(30-15-4-5-16-30)23(17-22)26(32)28-19-21-9-6-14-27-18-21/h1-3,6-9,11-12,14,17-18H,4-5,10,13,15-16,19H2,(H,28,32)(H,29,31)