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

Systemtic Name: 3-(azepan-1-yl)-N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]benzamide Openeye Name: 3-(azepan-1-yl)-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]phenyl]benzamide CAS Name: 3-(1-azepanyl)-N-[4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-yl)-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]benzamide Traditional Name: 3-(azepan-1-yl)-N-[3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-phenyl]benzamide Formula: C35H40N4O3 MolecularWeight: 564.7171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCCC3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCCC3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C35H40N4O3/c1-26-11-13-29(36-34(40)28-9-8-10-30(23-28)38-18-4-2-3-5-19-38)24-33(26)39-20-15-27-12-14-31(25-32(27)35(39)41)42-22-21-37-16-6-7-17-37/h8-15,20,23-25H,2-7,16-19,21-22H2,1H3,(H,36,40)