methyl 1,2,5-trimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate

Systemtic Name: methyl 1,2,5-trimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Openeye Name: methyl 1,2,5-trimethyl-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1,2,5-trimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylic acid methyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-16-19(20(21(26)27-4)17(2)23(16)3)15-25-10-6-9-24(11-12-25)14-18-7-5-8-22-13-18/h5,7-8,13H,6,9-12,14-15H2,1-4H3