1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Openeye Name: 1-[4-(1-cyclopropyl-1-methyl-ethyl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione CAS Name: 1-[4-(2-cyclopropylpropan-2-yl)-1-piperazinyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione IUPAC Name: 1-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Traditional Name: 1-[4-(1-cyclopropyl-1-methyl-ethyl)piperazino]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H32N2O4/c1-23(2,18-5-6-18)25-12-10-24(11-13-25)22(27)9-7-19(26)17-4-8-20-21(16-17)29-15-3-14-28-20/h4,8,16,18H,3,5-7,9-15H2,1-2H3