2-[2-[(3-azanylpyridin-2-yl)-(3-pyrrolidin-1-ylpropyl)amino]phenyl]benzaldehyde

Systemtic Name: 2-[2-[(3-azanylpyridin-2-yl)-(3-pyrrolidin-1-ylpropyl)amino]phenyl]benzaldehyde Openeye Name: 2-[2-[(3-amino-2-pyridyl)-(3-pyrrolidin-1-ylpropyl)amino]phenyl]benzaldehyde CAS Name: 2-[2-[(3-amino-2-pyridinyl)-[3-(1-pyrrolidinyl)propyl]amino]phenyl]benzaldehyde IUPAC Name: 2-[2-[(3-aminopyridin-2-yl)-(3-pyrrolidin-1-ylpropyl)amino]phenyl]benzaldehyde Traditional Name: 2-[2-[(3-amino-2-pyridyl)-(3-pyrrolidinopropyl)amino]phenyl]benzaldehyde Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN(C2=CC=CC=C2C3=CC=CC=C3C=O)C4=C(C=CC=N4)N

Isomeric SMILES

C1CCN(C1)CCCN(C2=CC=CC=C2C3=CC=CC=C3C=O)C4=C(C=CC=N4)N

InChI

InChI=1S/C25H28N4O/c26-23-12-7-14-27-25(23)29(18-8-17-28-15-5-6-16-28)24-13-4-3-11-22(24)21-10-2-1-9-20(21)19-30/h1-4,7,9-14,19H,5-6,8,15-18,26H2