9-(4-azanyl-5-oxidanylidene-1H-pyrazol-2-yl)-6-chloranyl-7-octadecyl-3,4-dihydro-1H-1-benzazepine-2,5-dione

Systemtic Name: 9-(4-azanyl-5-oxidanylidene-1H-pyrazol-2-yl)-6-chloranyl-7-octadecyl-3,4-dihydro-1H-1-benzazepine-2,5-dione Openeye Name: 9-(4-amino-5-oxo-1H-pyrazol-2-yl)-6-chloro-7-octadecyl-3,4-dihydro-1H-1-benzazepine-2,5-dione CAS Name: 9-(4-amino-5-oxo-1H-pyrazol-2-yl)-6-chloro-7-octadecyl-3,4-dihydro-1H-1-benzazepine-2,5-dione IUPAC Name: 9-(4-amino-5-oxo-1H-pyrazol-2-yl)-6-chloro-7-octadecyl-3,4-dihydro-1H-1-benzazepine-2,5-dione Traditional Name: 9-(4-amino-3-keto-3-pyrazolin-1-yl)-6-chloro-7-stearyl-3,4-dihydro-1H-1-benzazepine-2,5-quinone Formula: C31H47ClN4O3 MolecularWeight: 559.18288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C2C(=C1Cl)C(=O)CCC(=O)N2)N3C=C(C(=O)N3)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C2C(=C1Cl)C(=O)CCC(=O)N2)N3C=C(C(=O)N3)N

InChI

InChI=1S/C31H47ClN4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21-25(36-22-24(33)31(39)35-36)30-28(29(23)32)26(37)19-20-27(38)34-30/h21-22H,2-20,33H2,1H3,(H,34,38)(H,35,39)