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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O2/c28-19-21-9-6-10-22(17-21)30-27(34)31-23-11-12-25(32-15-4-5-16-32)24(18-23)26(33)29-14-13-20-7-2-1-3-8-20/h1-3,6-12,17-18H,4-5,13-16H2,(H,29,33)(H2,30,31,34)