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

Systemtic Name: 8-methoxy-3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-methoxy-3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-methoxy-3-(methoxymethyl)-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-methoxy-3-(methoxymethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-methoxy-3-(methoxymethyl)-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=C(C=CC(=C2)OC)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COCC1=COC2=C(C=CC(=C2)OC)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H31N5O4/c1-31-17-19-18-33-22-16-20(32-2)6-7-21(22)23(30)29(19)11-4-3-10-27-12-14-28(15-13-27)24-25-8-5-9-26-24/h5-9,16,18H,3-4,10-15,17H2,1-2H3