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

Systemtic Name: 4-(4-cyanophenyl)-N-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Openeye Name: 4-(4-cyanophenyl)-N-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide CAS Name: 4-(4-cyanophenyl)-N-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide IUPAC Name: 4-(4-cyanophenyl)-N-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Traditional Name: 4-(4-cyanophenyl)-N-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C=C1

Isomeric SMILES

COC1=CC2=C(CCN(C2)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C=C1

InChI

InChI=1S/C28H29N3O2/c1-33-27-13-12-24-14-17-31(20-26(24)18-27)16-3-2-15-30-28(32)25-10-8-23(9-11-25)22-6-4-21(19-29)5-7-22/h4-13,18H,2-3,14-17,20H2,1H3,(H,30,32)