3-(methoxymethyl)-7-methyl-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-7-methyl-4-[4-[4-(4-quinazolinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-7-methyl-4-[4-(4-quinazolin-4-ylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=NC5=CC=CC=C54)COC

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=NC5=CC=CC=C54)COC

InChI

InChI=1S/C28H33N5O3/c1-21-9-10-26-24(17-21)28(34)33(22(18-35-2)19-36-26)12-6-5-11-31-13-15-32(16-14-31)27-23-7-3-4-8-25(23)29-20-30-27/h3-4,7-10,17,19-20H,5-6,11-16,18H2,1-2H3