ethyl 6-(3-chlorophenyl)-4-[(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chlorophenyl)-4-[(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-[[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H33ClN4O4 MolecularWeight: 501.01762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C26H33ClN4O4/c1-3-11-31-21(17-29-12-6-13-30(15-14-29)24(32)18-9-10-18)22(25(33)35-4-2)23(28-26(31)34)19-7-5-8-20(27)16-19/h3,5,7-8,16,18,23H,1,4,6,9-15,17H2,2H3,(H,28,34)