3,8-dimethyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,8-dimethyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dimethyl-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dimethyl-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dimethyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dimethyl-4-[4-[4-(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)C(=O)N(C(=CO2)C)CCCCN3CCC(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCC(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H30N4O2/c1-18-6-7-21-22(16-18)30-17-19(2)28(24(21)29)13-4-3-12-27-14-8-20(9-15-27)23-25-10-5-11-26-23/h5-7,10-11,16-17,20H,3-4,8-9,12-15H2,1-2H3