(4-pentan-3-ylpiperazin-1-yl)-[4-(phenylazanylmethyl)phenyl]methanone dihydrochloride

Systemtic Name: (4-pentan-3-ylpiperazin-1-yl)-[4-(phenylazanylmethyl)phenyl]methanone dihydrochloride Openeye Name: [4-(anilinomethyl)phenyl]-[4-(1-ethylpropyl)piperazin-1-yl]methanone dihydrochloride CAS Name: [4-(anilinomethyl)phenyl]-(4-pentan-3-yl-1-piperazinyl)methanone dihydrochloride IUPAC Name: [4-(anilinomethyl)phenyl]-(4-pentan-3-ylpiperazin-1-yl)methanone dihydrochloride Traditional Name: [4-(anilinomethyl)phenyl]-[4-(1-ethylpropyl)piperazino]methanone dihydrochloride Formula: C23H33Cl2N3O MolecularWeight: 438.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C23H31N3O.2ClH/c1-3-22(4-2)25-14-16-26(17-15-25)23(27)20-12-10-19(11-13-20)18-24-21-8-6-5-7-9-21;;/h5-13,22,24H,3-4,14-18H2,1-2H3;2*1H