(1S,3S,4R)-3-methoxy-2-(phenylcarbonyl)-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-3-methoxy-2-(phenylcarbonyl)-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(propylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1C(N(C(C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCN[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O2/c1-3-13-23-19-17-12-8-7-11-16(17)18(14-22)24(21(19)26-2)20(25)15-9-5-4-6-10-15/h4-12,18-19,21,23H,3,13H2,1-2H3/t18-,19-,21+/m1/s1