N-[(4-ethylphenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-keto-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C31H33N3O3/c1-4-21-13-15-22(16-14-21)19-32-30(35)28-24-10-5-6-11-25(24)31(36)34(17-18-37-3)29(28)26-20-33(2)27-12-8-7-9-23(26)27/h5-16,20,28-29H,4,17-19H2,1-3H3,(H,32,35)