6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3,4-dihydroisocarbostyril Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC=C(C=C3)N4CCCN(CC4)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC=C(C=C3)N4CCCN(CC4)C

InChI

InChI=1S/C25H33N3O2/c1-3-4-18-30-23-10-11-24-20(19-23)12-15-28(25(24)29)22-8-6-21(7-9-22)27-14-5-13-26(2)16-17-27/h6-11,19H,3-5,12-18H2,1-2H3