[5-cyano-2-methyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]-propan-2-yl-carbamic acid

Systemtic Name: [5-cyano-2-methyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]-propan-2-yl-carbamic acid Openeye Name: [5-cyano-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]-isopropyl-carbamic acid CAS Name: [5-cyano-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-pyrimidinyl]-propan-2-ylcarbamic acid IUPAC Name: [5-cyano-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]-propan-2-ylcarbamic acid Traditional Name: [5-cyano-6-keto-2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]-isopropyl-carbamic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1N(C(C)C)C(=O)O)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1N(C(C)C)C(=O)O)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C20H23N5O3/c1-13(2)24(20(27)28)25-14(3)22-18(17(12-21)19(25)26)23-10-8-15-6-4-5-7-16(15)9-11-23/h4-7,13H,8-11H2,1-3H3,(H,27,28)