3-(methoxymethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(methoxymethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-4-[4-(4-phenylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COCC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-30-19-22-20-31-24-12-6-5-11-23(24)25(29)28(22)14-8-7-13-26-15-17-27(18-16-26)21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3