[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

Systemtic Name: [4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone Openeye Name: [4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-yl-2-thienyl)methanone CAS Name: [4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-[5-(2-pyrrolidinyl)-2-thiophenyl]methanone IUPAC Name: [4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone Traditional Name: [4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-yl-2-thienyl)methanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=CC=C(S2)C(=O)N3CCCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC(NC1)C2=CC=C(S2)C(=O)N3CCCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C20H26N4OS/c25-20(19-5-4-18(26-19)17-3-1-8-22-17)24-12-2-11-23(13-14-24)15-16-6-9-21-10-7-16/h4-7,9-10,17,22H,1-3,8,11-15H2