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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenyl-pyrrolo[1,2-a]azepin-7-one Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenyl-pyrrolo[1,2-a]azepin-7-one CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-phenyl-7-pyrrolo[1,2-a]azepinone IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolo[1,2-a]azepin-7-one Traditional Name: 3-[4-(2-hydroxyethyl)piperazino]-1-phenyl-pyrrol[1,2-a]azepin-7-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC(=C3N2C=CC(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C2=CC(=C3N2C=CC(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-15-14-22-10-12-23(13-11-22)21-16-19(17-4-2-1-3-5-17)20-7-6-18(26)8-9-24(20)21/h1-9,16,25H,10-15H2