3-[4-(4-azanylpiperidin-1-yl)carbonyl-1-oxidanylidene-2-(pyridin-4-ylmethyl)isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[4-(4-azanylpiperidin-1-yl)carbonyl-1-oxidanylidene-2-(pyridin-4-ylmethyl)isoquinolin-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[4-(4-aminopiperidine-1-carbonyl)-1-oxo-2-(4-pyridylmethyl)-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[4-[(4-amino-1-piperidinyl)-oxomethyl]-1-oxo-2-(pyridin-4-ylmethyl)-6-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[4-(4-aminopiperidine-1-carbonyl)-1-oxo-2-(pyridin-4-ylmethyl)isoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[4-(4-aminopiperidine-1-carbonyl)-1-keto-2-(4-pyridylmethyl)-6-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C32H33N5O3 MolecularWeight: 535.63612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCC(CC5)N)CC6=CC=NC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCC(CC5)N)CC6=CC=NC=C6

InChI

InChI=1S/C32H33N5O3/c1-20-2-3-23(30(38)35-25-5-6-25)17-27(20)22-4-7-26-28(16-22)29(32(40)36-14-10-24(33)11-15-36)19-37(31(26)39)18-21-8-12-34-13-9-21/h2-4,7-9,12-13,16-17,19,24-25H,5-6,10-11,14-15,18,33H2,1H3,(H,35,38)