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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbamoylamino]-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbamoylamino]-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-ethylanilino)-oxomethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbamoylamino]-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbamoylamino]-N-phenethyl-benzamide Formula: C33H34N4O2 MolecularWeight: 518.64866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C33H34N4O2/c1-2-24-12-14-28(15-13-24)35-33(39)36-29-16-17-31(37-21-19-26-10-6-7-11-27(26)23-37)30(22-29)32(38)34-20-18-25-8-4-3-5-9-25/h3-17,22H,2,18-21,23H2,1H3,(H,34,38)(H2,35,36,39)