ethyl 4-(1,4-diazepan-1-ylmethyl)-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-(1,4-diazepan-1-ylmethyl)-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-(1,4-diazepan-1-ylmethyl)-2-keto-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCCNCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCCNCC4

InChI

InChI=1S/C28H34N4O4/c1-3-16-32-24(20-31-17-9-14-29-15-18-31)25(27(33)35-4-2)26(30-28(32)34)21-10-8-13-23(19-21)36-22-11-6-5-7-12-22/h3,5-8,10-13,19,26,29H,1,4,9,14-18,20H2,2H3,(H,30,34)