2-(pyridin-3-ylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(pyridin-3-ylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(3-pyridylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile CAS Name: 2-(3-pyridinylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(pyridin-3-ylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(3-pyridylmethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(CN=C(N3)NCC4=CN=CC=C4)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(CN=C(N3)NCC4=CN=CC=C4)C#N

InChI

InChI=1S/C21H22N6/c22-12-19-15-25-21(24-14-16-4-3-9-23-13-16)26-20(19)27-10-7-17-5-1-2-6-18(17)8-11-27/h1-6,9,13H,7-8,10-11,14-15H2,(H2,24,25,26)