4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-3-(chloromethyl)-7-methoxy-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-3-(chloromethyl)-7-methoxy-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-4-[4-[3-(6-chloro-2-pyridyl)-1-piperidyl]butyl]-7-methoxy-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-4-[4-[3-(6-chloro-2-pyridinyl)-1-piperidinyl]butyl]-7-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-4-[4-[3-(6-chloropyridin-2-yl)piperidin-1-yl]butyl]-7-methoxy-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-4-[4-[3-(6-chloro-2-pyridyl)piperidino]butyl]-7-methoxy-1,4-benzoxazepin-5-one Formula: C25H29Cl2N3O3 MolecularWeight: 490.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl)CCl

InChI

InChI=1S/C25H29Cl2N3O3/c1-32-20-9-10-23-21(14-20)25(31)30(19(15-26)17-33-23)13-3-2-11-29-12-5-6-18(16-29)22-7-4-8-24(27)28-22/h4,7-10,14,17-18H,2-3,5-6,11-13,15-16H2,1H3