4-(3-cyanophenyl)-N-[4-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide

Systemtic Name: 4-(3-cyanophenyl)-N-[4-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Openeye Name: 4-(3-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide CAS Name: 4-(3-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide IUPAC Name: 4-(3-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Traditional Name: 4-(3-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)O)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)O)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H27N3O2/c28-18-20-4-3-5-24(16-20)21-6-8-23(9-7-21)27(32)29-13-1-2-14-30-15-12-22-10-11-26(31)17-25(22)19-30/h3-11,16-17,31H,1-2,12-15,19H2,(H,29,32)