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

Systemtic Name: N-[4-methyl-3-[1-oxidanylidene-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]phenyl]-3-thiophen-2-yl-benzamide Openeye Name: N-[4-methyl-3-[1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-2-isoquinolyl]phenyl]-3-(2-thienyl)benzamide CAS Name: N-[4-methyl-3-[1-oxo-7-[3-(1-pyrrolidinyl)propoxy]-2-isoquinolinyl]phenyl]-3-thiophen-2-ylbenzamide IUPAC Name: N-[4-methyl-3-[1-oxo-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]phenyl]-3-thiophen-2-ylbenzamide Traditional Name: N-[3-[1-keto-7-(3-pyrrolidinopropoxy)-2-isoquinolyl]-4-methyl-phenyl]-3-(2-thienyl)benzamide Formula: C34H33N3O3S MolecularWeight: 563.70912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCCN6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCCN6CCCC6

InChI

InChI=1S/C34H33N3O3S/c1-24-10-12-28(35-33(38)27-8-4-7-26(21-27)32-9-5-20-41-32)22-31(24)37-18-14-25-11-13-29(23-30(25)34(37)39)40-19-6-17-36-15-2-3-16-36/h4-5,7-14,18,20-23H,2-3,6,15-17,19H2,1H3,(H,35,38)