8-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-phenyl-5-propyl-6H-pyrrolo[3,2-c]azepin-4-one

Systemtic Name: 8-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-phenyl-5-propyl-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 8-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-1-phenyl-5-propyl-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 8-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-1-phenyl-5-propyl-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 8-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-phenyl-5-propyl-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 8-[4-(6-fluoroindoxazen-3-yl)piperidino]-1-phenyl-5-propyl-6H-pyrrol[3,2-c]azepin-4-one Formula: C29H29FN4O2 MolecularWeight: 484.564563

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C(C2=C(C1=O)C=CN2C3=CC=CC=C3)N4CCC(CC4)C5=NOC6=C5C=CC(=C6)F

Isomeric SMILES

CCCN1CC=C(C2=C(C1=O)C=CN2C3=CC=CC=C3)N4CCC(CC4)C5=NOC6=C5C=CC(=C6)F

InChI

InChI=1S/C29H29FN4O2/c1-2-14-33-17-13-25(28-24(29(33)35)12-18-34(28)22-6-4-3-5-7-22)32-15-10-20(11-16-32)27-23-9-8-21(30)19-26(23)36-31-27/h3-9,12-13,18-20H,2,10-11,14-17H2,1H3