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

Systemtic Name: 1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Openeye Name: 1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione CAS Name: 1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)C3CC3)OC

InChI

InChI=1S/C20H28N2O4/c1-25-18-8-4-15(14-19(18)26-2)17(23)7-9-20(24)22-11-3-10-21(12-13-22)16-5-6-16/h4,8,14,16H,3,5-7,9-13H2,1-2H3