cyclopropyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O/c1-16-20(15-18-7-4-3-5-8-18)21(24-17(2)23-16)25-11-6-12-26(14-13-25)22(27)19-9-10-19/h3-5,7-8,19H,6,9-15H2,1-2H3