4-[1-oxidanylidene-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzenecarbonitrile Openeye Name: 4-[1-oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile CAS Name: 4-[1-oxo-2-[3-(1-pyrrolidinyl)propyl]-3,4-dihydroisoquinolin-6-yl]benzonitrile IUPAC Name: 4-[1-oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile Traditional Name: 4-[1-keto-2-(3-pyrrolidinopropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)CCCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O/c24-17-18-4-6-19(7-5-18)20-8-9-22-21(16-20)10-15-26(23(22)27)14-3-13-25-11-1-2-12-25/h4-9,16H,1-3,10-15H2