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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethoxyphenyl)carbamoylamino]-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethoxyphenyl)carbamoylamino]-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2-ethoxyanilino)-oxomethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethoxyphenyl)carbamoylamino]-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(o-phenetylcarbamoylamino)-N-phenethyl-benzamide Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C33H34N4O3/c1-2-40-31-15-9-8-14-29(31)36-33(39)35-27-16-17-30(37-21-19-25-12-6-7-13-26(25)23-37)28(22-27)32(38)34-20-18-24-10-4-3-5-11-24/h3-17,22H,2,18-21,23H2,1H3,(H,34,38)(H2,35,36,39)