aziridin-2-one; 2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzaldehyde

Systemtic Name: aziridin-2-one; 2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzaldehyde Openeye Name: aziridin-2-one; 2-ethoxy-4-[phenyl-[2-(1-piperidyl)phenyl]methyl]benzaldehyde CAS Name: 2-aziridinone; 2-ethoxy-4-[phenyl-[2-(1-piperidinyl)phenyl]methyl]benzaldehyde IUPAC Name: aziridin-2-one; 2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzaldehyde Traditional Name: 2-ethoxy-4-[phenyl-(2-piperidinophenyl)methyl]benzaldehyde; ethylenimin-2-one Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C=O.C1C(=O)N1

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C=O.C1C(=O)N1

InChI

InChI=1S/C27H29NO2.C2H3NO/c1-2-30-26-19-22(15-16-23(26)20-29)27(21-11-5-3-6-12-21)24-13-7-8-14-25(24)28-17-9-4-10-18-28;4-2-1-3-2/h3,5-8,11-16,19-20,27H,2,4,9-10,17-18H2,1H3;1H2,(H,3,4)