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

Systemtic Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(4-cyanoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(4-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=C(C=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=C(C=C4)C#N)C(=O)NCCC5=CC=CC=C5

InChI

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