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

Systemtic Name: 7-methoxy-3-(methoxymethyl)-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-methoxy-3-(methoxymethyl)-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 7-methoxy-3-(methoxymethyl)-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-methoxy-3-(methoxymethyl)-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-methoxy-3-(methoxymethyl)-4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=C(C=C(C=C2)OC)C(=O)N1CCCCN3CCCC(C3)C4=NC=CC=N4

Isomeric SMILES

COCC1=COC2=C(C=C(C=C2)OC)C(=O)N1CCCCN3CCCC(C3)C4=NC=CC=N4

InChI

InChI=1S/C25H32N4O4/c1-31-17-20-18-33-23-9-8-21(32-2)15-22(23)25(30)29(20)14-4-3-12-28-13-5-7-19(16-28)24-26-10-6-11-27-24/h6,8-11,15,18-19H,3-5,7,12-14,16-17H2,1-2H3