6-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 6-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 6-oxo-1-[3-(2-oxoazepan-1-yl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-1-[3-(2-oxo-1-azepanyl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-1-[3-(2-oxoazepan-1-yl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 6-keto-1-[3-(2-ketoazepan-1-yl)propyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCN2C=NC(=C(C2=O)C#N)N3CCC4=CC=CC=C4CC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCN2C=NC(=C(C2=O)C#N)N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C24H29N5O2/c25-17-21-23(28-15-10-19-7-3-4-8-20(19)11-16-28)26-18-29(24(21)31)14-6-13-27-12-5-1-2-9-22(27)30/h3-4,7-8,18H,1-2,5-6,9-16H2