8-methoxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 8-methoxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-methoxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-methoxy-3-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-methoxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-methoxy-3-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)OC)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)OC)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N5O3/c1-18-17-31-21-16-19(30-2)6-7-20(21)22(29)28(18)11-4-3-10-26-12-14-27(15-13-26)23-24-8-5-9-25-23/h5-9,16-17H,3-4,10-15H2,1-2H3