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

Systemtic Name: (1S,3S,4R)-4-(ethylamino)-3-methoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-4-(ethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-4-(ethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-4-(ethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-4-(ethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C(N(C(C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-3-22-18-16-12-8-7-11-15(16)17(13-21)23(20(18)25-2)19(24)14-9-5-4-6-10-14/h4-12,17-18,20,22H,3H2,1-2H3/t17-,18-,20+/m1/s1