1-(2,3-dihydroindol-1-yl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-indolin-1-yl-4-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-indolin-1-yl-4-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC4=CN=CC=C4

InChI

InChI=1S/C23H28N4O2/c28-22(8-9-23(29)27-14-10-20-6-1-2-7-21(20)27)26-13-4-12-25(15-16-26)18-19-5-3-11-24-17-19/h1-3,5-7,11,17H,4,8-10,12-16,18H2