3-(chloromethyl)-7-methoxy-4-[4-(3-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(chloromethyl)-7-methoxy-4-[4-(3-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-7-methoxy-4-[4-(3-quinazolin-4-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-7-methoxy-4-[4-[3-(4-quinazolinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-7-methoxy-4-[4-(3-quinazolin-4-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-7-methoxy-4-[4-(3-quinazolin-4-ylpiperidino)butyl]-1,4-benzoxazepin-5-one Formula: C28H31ClN4O3 MolecularWeight: 507.02374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=NC5=CC=CC=C54)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC=NC5=CC=CC=C54)CCl

InChI

InChI=1S/C28H31ClN4O3/c1-35-22-10-11-26-24(15-22)28(34)33(21(16-29)18-36-26)14-5-4-12-32-13-6-7-20(17-32)27-23-8-2-3-9-25(23)30-19-31-27/h2-3,8-11,15,18-20H,4-7,12-14,16-17H2,1H3