3-(2-pyridin-3-ylethylamino)-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile

Systemtic Name: 3-(2-pyridin-3-ylethylamino)-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Openeye Name: 3-[2-(3-pyridyl)ethylamino]-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile CAS Name: 3-[2-(3-pyridinyl)ethylamino]-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile IUPAC Name: 3-(2-pyridin-3-ylethylamino)-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Traditional Name: 3-[2-(3-pyridyl)ethylamino]-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Formula: C21H21N7 MolecularWeight: 371.43834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(N=NC(=N3)NCCC4=CN=CC=C4)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(N=NC(=N3)NCCC4=CN=CC=C4)C#N

InChI

InChI=1S/C21H21N7/c22-14-19-20(28-12-8-17-5-1-2-6-18(17)9-13-28)25-21(27-26-19)24-11-7-16-4-3-10-23-15-16/h1-6,10,15H,7-9,11-13H2,(H,24,25,27)