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

Systemtic Name: 3,7-dimethyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dimethyl-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dimethyl-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dimethyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dimethyl-4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C24H30N4O2/c1-18-8-9-22-21(15-18)24(29)28(19(2)17-30-22)14-4-3-12-27-13-5-7-20(16-27)23-25-10-6-11-26-23/h6,8-11,15,17,20H,3-5,7,12-14,16H2,1-2H3