4-(6-oxidanylidene-1-phenethyl-piperidin-3-yl)carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-(6-oxidanylidene-1-phenethyl-piperidin-3-yl)carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-(6-oxo-1-phenethyl-piperidine-3-carbonyl)-1,4-diazepane-1-carbaldehyde CAS Name: 4-[oxo-(6-oxo-1-phenethyl-3-piperidinyl)methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-(6-oxo-1-phenethylpiperidine-3-carbonyl)-1,4-diazepane-1-carbaldehyde Traditional Name: 4-(6-keto-1-phenethyl-nipecotoyl)-1,4-diazepane-1-carbaldehyde Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3)C=O

InChI

InChI=1S/C20H27N3O3/c24-16-21-10-4-11-22(14-13-21)20(26)18-7-8-19(25)23(15-18)12-9-17-5-2-1-3-6-17/h1-3,5-6,16,18H,4,7-15H2