N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-3-(3-oxidanylpyrrolidin-1-yl)benzamide

Systemtic Name: N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-3-(3-oxidanylpyrrolidin-1-yl)benzamide Openeye Name: 3-(3-hydroxypyrrolidin-1-yl)-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]phenyl]benzamide CAS Name: 3-(3-hydroxy-1-pyrrolidinyl)-N-[4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]phenyl]benzamide IUPAC Name: 3-(3-hydroxypyrrolidin-1-yl)-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]benzamide Traditional Name: 3-(3-hydroxypyrrolidino)-N-[3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-phenyl]benzamide Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCC(C3)O)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCC(C3)O)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C33H36N4O4/c1-23-7-9-26(34-32(39)25-5-4-6-27(19-25)36-15-12-28(38)22-36)20-31(23)37-16-11-24-8-10-29(21-30(24)33(37)40)41-18-17-35-13-2-3-14-35/h4-11,16,19-21,28,38H,2-3,12-15,17-18,22H2,1H3,(H,34,39)