1-[(3-cyanophenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methyl-indole-2-carboxamide

Systemtic Name: 1-[(3-cyanophenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methyl-indole-2-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-N-(1-isoquinolylmethyl)-4-methyl-indole-2-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-N-(1-isoquinolinylmethyl)-4-methyl-2-indolecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-methylindole-2-carboxamide Traditional Name: 1-(3-cyanobenzyl)-N-(1-isoquinolylmethyl)-4-methyl-indole-2-carboxamide Formula: C28H22N4O MolecularWeight: 430.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)NCC4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)NCC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C28H22N4O/c1-19-6-4-11-26-24(19)15-27(32(26)18-21-8-5-7-20(14-21)16-29)28(33)31-17-25-23-10-3-2-9-22(23)12-13-30-25/h2-15H,17-18H2,1H3,(H,31,33)