5-methyl-2-[2-methyl-1-(7-oxidanylidene-1,4-diazepan-1-yl)propyl]-6-oxidanylidene-1-(phenylmethyl)pyrimidine-4-carbonitrile

Systemtic Name: 5-methyl-2-[2-methyl-1-(7-oxidanylidene-1,4-diazepan-1-yl)propyl]-6-oxidanylidene-1-(phenylmethyl)pyrimidine-4-carbonitrile Openeye Name: 1-benzyl-5-methyl-2-[2-methyl-1-(7-oxo-1,4-diazepan-1-yl)propyl]-6-oxo-pyrimidine-4-carbonitrile CAS Name: 5-methyl-2-[2-methyl-1-(7-oxo-1,4-diazepan-1-yl)propyl]-6-oxo-1-(phenylmethyl)-4-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-5-methyl-2-[2-methyl-1-(7-oxo-1,4-diazepan-1-yl)propyl]-6-oxopyrimidine-4-carbonitrile Traditional Name: 1-benzyl-6-keto-2-[1-(7-keto-1,4-diazepan-1-yl)-2-methyl-propyl]-5-methyl-pyrimidine-4-carbonitrile Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N3CCNCCC3=O)C#N

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N3CCNCCC3=O)C#N

InChI

InChI=1S/C22H27N5O2/c1-15(2)20(26-12-11-24-10-9-19(26)28)21-25-18(13-23)16(3)22(29)27(21)14-17-7-5-4-6-8-17/h4-8,15,20,24H,9-12,14H2,1-3H3