5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one

Systemtic Name: 5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one Openeye Name: 3-isopropyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one CAS Name: 5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-propan-2-yl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one IUPAC Name: 5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one Traditional Name: 3-isopropyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepin-8-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=N1)C(C)C)NC(=C3C=CC(=O)C=C3)CNC2=O

Isomeric SMILES

CCCN1C2=C(C(=N1)C(C)C)NC(=C3C=CC(=O)C=C3)CNC2=O

InChI

InChI=1S/C18H22N4O2/c1-4-9-22-17-16(15(21-22)11(2)3)20-14(10-19-18(17)24)12-5-7-13(23)8-6-12/h5-8,11,20H,4,9-10H2,1-3H3,(H,19,24)