4-[4-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-methoxy-2-pyridyl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-methoxy-2-pyridinyl)-1-piperazinyl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-methoxy-2-pyridyl)piperazino]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC(=CC=C4)OC)C

InChI

InChI=1S/C25H32N4O3/c1-19-9-10-22-21(17-19)25(30)29(20(2)18-32-22)12-5-4-11-27-13-15-28(16-14-27)23-7-6-8-24(26-23)31-3/h6-10,17-18H,4-5,11-16H2,1-3H3