1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride Openeye Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride CAS Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride Traditional Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione hydrochloride Formula: C22H33ClN2O4 MolecularWeight: 424.96142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)C3CCCC3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)C3CCCC3)OC.Cl

InChI

InChI=1S/C22H32N2O4.ClH/c1-27-20-10-8-17(16-21(20)28-2)19(25)9-11-22(26)24-13-5-12-23(14-15-24)18-6-3-4-7-18;/h8,10,16,18H,3-7,9,11-15H2,1-2H3;1H