3-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]-1-phenyl-pyrrolo[1,2-a]azepin-7-one

Systemtic Name: 3-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]-1-phenyl-pyrrolo[1,2-a]azepin-7-one Openeye Name: 1-phenyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)piperazin-1-yl]pyrrolo[1,2-a]azepin-7-one CAS Name: 3-[4-[2-(2-oxanyloxy)ethyl]-1-piperazinyl]-1-phenyl-7-pyrrolo[1,2-a]azepinone IUPAC Name: 3-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]-1-phenylpyrrolo[1,2-a]azepin-7-one Traditional Name: 1-phenyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)piperazino]pyrrol[1,2-a]azepin-7-one Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCN2CCN(CC2)C3=CC(=C4N3C=CC(=O)C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OCCN2CCN(CC2)C3=CC(=C4N3C=CC(=O)C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c30-22-9-10-24-23(21-6-2-1-3-7-21)20-25(29(24)12-11-22)28-15-13-27(14-16-28)17-19-32-26-8-4-5-18-31-26/h1-3,6-7,9-12,20,26H,4-5,8,13-19H2