(4S)-2-azanyl-5-oxidanylidene-1-[(6-oxidanylidene-3-phenyl-1H-pyridazin-4-yl)amino]-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-5-oxidanylidene-1-[(6-oxidanylidene-3-phenyl-1H-pyridazin-4-yl)amino]-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-5-oxo-1-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)amino]-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-5-oxo-1-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)amino]-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-5-oxo-1-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)amino]-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-[(6-keto-3-phenyl-1H-pyridazin-4-yl)amino]-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2NC3=CC(=O)NN=C3C4=CC=CC=C4)N)C#N)C5=CN=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(N2NC3=CC(=O)NN=C3C4=CC=CC=C4)N)C#N)C5=CN=CC=C5)C(=O)C1

InChI

InChI=1S/C25H21N7O2/c26-13-17-22(16-8-5-11-28-14-16)23-19(9-4-10-20(23)33)32(25(17)27)31-18-12-21(34)29-30-24(18)15-6-2-1-3-7-15/h1-3,5-8,11-12,14,22H,4,9-10,27H2,(H2,29,31,34)/t22-/m0/s1