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

Systemtic Name: N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide Openeye Name: N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide CAS Name: N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide IUPAC Name: N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide Traditional Name: N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O/c28-19-21-8-9-24-14-17-30(20-26(24)18-21)16-5-4-15-29-27(31)25-12-10-23(11-13-25)22-6-2-1-3-7-22/h1-3,6-13,18H,4-5,14-17,20H2,(H,29,31)