8-chloranyl-3-methyl-4-[4-(4-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 8-chloranyl-3-methyl-4-[4-(4-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-methyl-4-[4-(4-quinazolin-4-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-methyl-4-[4-[4-(4-quinazolinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-methyl-4-[4-(4-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-methyl-4-[4-(4-quinazolin-4-ylpiperidino)butyl]-1,4-benzoxazepin-5-one Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCC(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCC(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C27H29ClN4O2/c1-19-17-34-25-16-21(28)8-9-23(25)27(33)32(19)13-5-4-12-31-14-10-20(11-15-31)26-22-6-2-3-7-24(22)29-18-30-26/h2-3,6-9,16-18,20H,4-5,10-15H2,1H3