3-chloranyl-7-methoxy-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-7-methoxy-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-7-methoxy-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-7-methoxy-4-[4-[4-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-7-methoxy-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-7-methoxy-4-[4-[4-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C23H25ClN4O3 MolecularWeight: 440.9226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(=CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(=CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C23H25ClN4O3/c1-30-18-5-6-20-19(15-18)23(29)28(21(24)16-31-20)12-3-2-11-27-13-7-17(8-14-27)22-25-9-4-10-26-22/h4-7,9-10,15-16H,2-3,8,11-14H2,1H3