2-azanyl-4-[(E)-3-oxidanylideneprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[(E)-3-oxidanylideneprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[(E)-3-oxoprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile CAS Name: 2-amino-4-[(E)-3-oxoprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-amino-4-[(E)-3-oxoprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(E)-3-ketoprop-1-enyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,4-dihydropyrimidine-5-carbonitrile Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(N=C(N3)N)C=CC=O)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(N=C(N3)N)/C=C/C=O)C#N

InChI

InChI=1S/C18H19N5O/c19-12-15-16(6-3-11-24)21-18(20)22-17(15)23-9-7-13-4-1-2-5-14(13)8-10-23/h1-6,11,16H,7-10H2,(H3,20,21,22)/b6-3+