phenyl-[2-(phenylcarbonyl)-5-(2-pyridin-4-ylethyl)-1,2,5-triazepan-1-yl]methanone

Systemtic Name: phenyl-[2-(phenylcarbonyl)-5-(2-pyridin-4-ylethyl)-1,2,5-triazepan-1-yl]methanone Openeye Name: [2-benzoyl-5-[2-(4-pyridyl)ethyl]-1,2,5-triazepan-1-yl]-phenyl-methanone CAS Name: [2-benzoyl-5-(2-pyridin-4-ylethyl)-1,2,5-triazepan-1-yl]-phenylmethanone IUPAC Name: [2-benzoyl-5-(2-pyridin-4-ylethyl)-1,2,5-triazepan-1-yl]-phenylmethanone Traditional Name: [2-benzoyl-5-[2-(4-pyridyl)ethyl]-1,2,5-triazepan-1-yl]-phenyl-methanone Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(CCN1CCC2=CC=NC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(N(CCN1CCC2=CC=NC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c30-24(22-7-3-1-4-8-22)28-19-17-27(16-13-21-11-14-26-15-12-21)18-20-29(28)25(31)23-9-5-2-6-10-23/h1-12,14-15H,13,16-20H2