4-[but-3-enyl-(phenylmethyl)amino]-1,3-dicyclohexyl-2,6-bis(oxidanylidene)pyrimidine-5-carbaldehyde

Systemtic Name: 4-[but-3-enyl-(phenylmethyl)amino]-1,3-dicyclohexyl-2,6-bis(oxidanylidene)pyrimidine-5-carbaldehyde Openeye Name: 4-[benzyl(but-3-enyl)amino]-1,3-dicyclohexyl-2,6-dioxo-pyrimidine-5-carbaldehyde CAS Name: 4-[but-3-enyl-(phenylmethyl)amino]-1,3-dicyclohexyl-2,6-dioxo-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[benzyl(but-3-enyl)amino]-1,3-dicyclohexyl-2,6-dioxopyrimidine-5-carbaldehyde Traditional Name: 4-[benzyl(but-3-enyl)amino]-1,3-dicyclohexyl-2,6-diketo-pyrimidine-5-carbaldehyde Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN(CC1=CC=CC=C1)C2=C(C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4)C=O

Isomeric SMILES

C=CCCN(CC1=CC=CC=C1)C2=C(C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4)C=O

InChI

InChI=1S/C28H37N3O3/c1-2-3-19-29(20-22-13-7-4-8-14-22)26-25(21-32)27(33)31(24-17-11-6-12-18-24)28(34)30(26)23-15-9-5-10-16-23/h2,4,7-8,13-14,21,23-24H,1,3,5-6,9-12,15-20H2