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

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-oxidanylidene-2-(pyridin-4-ylmethyl)-4-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-isoquinolin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[1-oxo-2-(4-pyridylmethyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[1-oxo-4-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2-(pyridin-4-ylmethyl)-6-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[1-oxo-2-(pyridin-4-ylmethyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)isoquinolin-6-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-2-(4-pyridylmethyl)-4-(4-pyrrolidinopiperidine-1-carbonyl)-6-isoquinolyl]-4-methyl-benzamide Formula: C36H39N5O3 MolecularWeight: 589.72656

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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)N6CCCC6)CC7=CC=NC=C7

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4C(=O)N5CCC(CC5)N6CCCC6)CC7=CC=NC=C7

InChI

InChI=1S/C36H39N5O3/c1-24-4-5-27(34(42)38-28-7-8-28)21-31(24)26-6-9-30-32(20-26)33(23-41(35(30)43)22-25-10-14-37-15-11-25)36(44)40-18-12-29(13-19-40)39-16-2-3-17-39/h4-6,9-11,14-15,20-21,23,28-29H,2-3,7-8,12-13,16-19,22H2,1H3,(H,38,42)