methyl 4-(4-naphthalen-2-ylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-(4-naphthalen-2-ylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-(2-naphthyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-(2-naphthalenyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-naphthalen-2-ylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(2-naphthyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N4O2/c1-27-21(26)25-12-4-11-24(13-14-25)20-22-10-9-19(23-20)18-8-7-16-5-2-3-6-17(16)15-18/h2-3,5-10,15H,4,11-14H2,1H3