6-(4-methoxyphenyl)-4-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H25N5O2/c1-31-20-10-8-19(9-11-20)22-21(16-25)23(30)27-24(26-22)29-13-5-12-28(14-15-29)17-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15,17H2,1H3,(H,26,27,30)