(3R,4S)-2,2-dimethyl-3-oxidanyl-4-[4-(phenylmethyl)piperazin-1-yl]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-[4-(phenylmethyl)piperazin-1-yl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[4-(phenylmethyl)-1-piperazinyl]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-(4-benzylpiperazino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C23H27N3O2/c1-23(2)22(27)21(19-14-18(15-24)8-9-20(19)28-23)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,14,21-22,27H,10-13,16H2,1-2H3/t21-,22+/m0/s1