8-methyl-4-[1-(3-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 8-methyl-4-[1-(3-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-methyl-4-[1-(3-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-methyl-4-[1-[3-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-methyl-4-[1-(3-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-methyl-4-[1-[3-(2-pyrimidyl)piperazino]propyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCNC(C1)C2=NC=CC=N2)N3C(=O)COC4=C(C3=O)C=CC(=C4)C

Isomeric SMILES

CCC(N1CCNC(C1)C2=NC=CC=N2)N3C(=O)COC4=C(C3=O)C=CC(=C4)C

InChI

InChI=1S/C21H25N5O3/c1-3-18(25-10-9-22-16(12-25)20-23-7-4-8-24-20)26-19(27)13-29-17-11-14(2)5-6-15(17)21(26)28/h4-8,11,16,18,22H,3,9-10,12-13H2,1-2H3