1-[[(2E)-2-(6-chloranyl-1,2-dihydroindazol-3-ylidene)indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one

Systemtic Name: 1-[[(2E)-2-(6-chloranyl-1,2-dihydroindazol-3-ylidene)indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one Openeye Name: 1-[[(2E)-2-(6-chloro-1,2-dihydroindazol-3-ylidene)indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one CAS Name: 1-[[(2E)-2-(6-chloro-1,2-dihydroindazol-3-ylidene)-5-indolyl]methyl]-4-methyl-1,4-diazepan-5-one IUPAC Name: 1-[[(2E)-2-(6-chloro-1,2-dihydroindazol-3-ylidene)indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one Traditional Name: 1-[[(2E)-2-(6-chloroindazolin-3-ylidene)indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)CC2=CC3=CC(=C4C5=C(C=C(C=C5)Cl)NN4)N=C3C=C2

Isomeric SMILES

CN1CCN(CCC1=O)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)Cl)NN4)/N=C3C=C2

InChI

InChI=1S/C22H22ClN5O/c1-27-8-9-28(7-6-21(27)29)13-14-2-5-18-15(10-14)11-20(24-18)22-17-4-3-16(23)12-19(17)25-26-22/h2-5,10-12,25-26H,6-9,13H2,1H3/b22-20+