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

Systemtic Name: 3-(chloromethyl)-8-methyl-4-[4-(4-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methyl-4-[4-(4-quinazolin-4-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(4-quinazolinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methyl-4-[4-(4-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methyl-4-[4-(4-quinazolin-4-ylpiperidino)butyl]-1,4-benzoxazepin-5-one Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C28H31ClN4O2/c1-20-8-9-24-26(16-20)35-18-22(17-29)33(28(24)34)13-5-4-12-32-14-10-21(11-15-32)27-23-6-2-3-7-25(23)30-19-31-27/h2-3,6-9,16,18-19,21H,4-5,10-15,17H2,1H3