5-[(3-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[(3-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(3-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(3-cyanoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(3-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(3-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C32H29N5O2 MolecularWeight: 515.60496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H29N5O2/c33-21-24-9-6-12-27(19-24)35-32(39)36-28-13-14-30(37-18-16-25-10-4-5-11-26(25)22-37)29(20-28)31(38)34-17-15-23-7-2-1-3-8-23/h1-14,19-20H,15-18,22H2,(H,34,38)(H2,35,36,39)