N-[2-(azepan-1-yl)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(1-azepanyl)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)propyl]-4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC(C)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC(C)N3CCCCCC3

InChI

InChI=1S/C21H27N5O4/c1-15-13-19(27)20(23-25(15)17-9-5-6-10-18(17)26(29)30)21(28)22-14-16(2)24-11-7-3-4-8-12-24/h5-6,9-10,13,16H,3-4,7-8,11-12,14H2,1-2H3,(H,22,28)