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

Systemtic Name: N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-3-piperidin-1-yl-benzamide Openeye Name: N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]phenyl]-3-(1-piperidyl)benzamide CAS Name: N-[4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]phenyl]-3-(1-piperidinyl)benzamide IUPAC Name: N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-3-piperidin-1-ylbenzamide Traditional Name: N-[3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-phenyl]-3-piperidino-benzamide Formula: C34H38N4O3 MolecularWeight: 550.69052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCC3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCC3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C34H38N4O3/c1-25-10-12-28(35-33(39)27-8-7-9-29(22-27)37-17-3-2-4-18-37)23-32(25)38-19-14-26-11-13-30(24-31(26)34(38)40)41-21-20-36-15-5-6-16-36/h7-14,19,22-24H,2-6,15-18,20-21H2,1H3,(H,35,39)