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

Systemtic Name: 4-(4-cyanophenyl)-N-[4-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Openeye Name: 4-(4-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide CAS Name: 4-(4-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide IUPAC Name: 4-(4-cyanophenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Traditional Name: 4-(4-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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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