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

Systemtic Name: methyl 1,2,5-trimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Openeye Name: methyl 1,2,5-trimethyl-4-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1,2,5-trimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylic acid methyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-15-18(19(20(24)25-4)16(2)21(15)3)13-23-8-5-7-22(9-10-23)12-17-6-11-26-14-17/h6,11,14H,5,7-10,12-13H2,1-4H3