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

Systemtic Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Openeye Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione CAS Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4/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