[4-[6-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[6-[(2S)-2-methyl-1-piperidyl]pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-[(2S)-2-methyl-1-piperidinyl]-3-pyridazinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-[(2S)-2-methylpiperidino]pyridazin-3-yl]piperazino]-(3-nitrophenyl)methanone Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c1-16-5-2-3-10-26(16)20-9-8-19(22-23-20)24-11-13-25(14-12-24)21(28)17-6-4-7-18(15-17)27(29)30/h4,6-9,15-16H,2-3,5,10-14H2,1H3/t16-/m0/s1