N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxidanylidene-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxidanylidene-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-[(4S,4aS,9bR)-3-keto-8,9b-dimethyl-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-(4-methylpiperazino)acetamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3C2(CCC(=O)C3NC(=O)CN4CCN(CC4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CN4CCN(CC4)C)C

InChI

InChI=1S/C21H29N3O3/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26)/t19-,20-,21-/m1/s1