5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethylpiperazin-1-yl)methanone hydrochloride

Systemtic Name: 5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethylpiperazin-1-yl)methanone hydrochloride Openeye Name: 5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethylpiperazin-1-yl)methanone hydrochloride CAS Name: 5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethyl-1-piperazinyl)methanone hydrochloride IUPAC Name: 5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethylpiperazin-1-yl)methanone hydrochloride Traditional Name: 5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl-(4-phenethylpiperazino)methanone hydrochloride Formula: C25H32ClN3O MolecularWeight: 425.99408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C3=C(N2)C=C(C=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5.Cl

Isomeric SMILES

C1CCC2C(C1)C3=C(N2)C=C(C=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5.Cl

InChI

InChI=1S/C25H31N3O.ClH/c29-25(20-10-11-22-21-8-4-5-9-23(21)26-24(22)18-20)28-16-14-27(15-17-28)13-12-19-6-2-1-3-7-19;/h1-3,6-7,10-11,18,21,23,26H,4-5,8-9,12-17H2;1H