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

Systemtic Name: 3-[1-oxidanylidene-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[1-oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile CAS Name: 3-[1-oxo-2-[3-(1-pyrrolidinyl)propyl]-3,4-dihydroisoquinolin-6-yl]benzonitrile IUPAC Name: 3-[1-oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile Traditional Name: 3-[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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c24-17-18-5-3-6-19(15-18)20-7-8-22-21(16-20)9-14-26(23(22)27)13-4-12-25-10-1-2-11-25/h3,5-8,15-16H,1-2,4,9-14H2