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

Systemtic Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(4-cyanoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-[(4-cyanophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C30H32N6O3 MolecularWeight: 524.61348

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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)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C30H32N6O3/c31-20-22-5-7-25(8-6-22)33-30(38)34-26-9-10-28(36-13-11-23-3-1-2-4-24(23)21-36)27(19-26)29(37)32-12-14-35-15-17-39-18-16-35/h1-10,19H,11-18,21H2,(H,32,37)(H2,33,34,38)