[4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone dihydrochloride

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone dihydrochloride Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-(4-isopropylpiperazin-1-yl)methanone dihydrochloride CAS Name: [4-(1-azepanylmethyl)phenyl]-(4-propan-2-yl-1-piperazinyl)methanone dihydrochloride IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone dihydrochloride Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-(4-isopropylpiperazino)methanone dihydrochloride Formula: C21H35Cl2N3O MolecularWeight: 416.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3.Cl.Cl

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3.Cl.Cl

InChI

InChI=1S/C21H33N3O.2ClH/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22;;/h7-10,18H,3-6,11-17H2,1-2H3;2*1H