5-[(3-cyanophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(3-cyanoanilino)-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidino-benzamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C#N)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C#N)N4CCCC4

InChI

InChI=1S/C27H27N5O2/c1-19(21-9-3-2-4-10-21)29-26(33)24-17-23(12-13-25(24)32-14-5-6-15-32)31-27(34)30-22-11-7-8-20(16-22)18-28/h2-4,7-13,16-17,19H,5-6,14-15H2,1H3,(H,29,33)(H2,30,31,34)