2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-thiophen-2-yl-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-thiophen-2-yl-ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(2-thienyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(2-thienyl)ethyl]-(1-pyrrolin-2-yl)amine Formula: C16H24N4S MolecularWeight: 304.45356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C(CNC2=NCCC2)C3=CC=CS3)N

Isomeric SMILES

C1CCC(=NC(C1)C(CNC2=NCCC2)C3=CC=CS3)N

InChI

InChI=1S/C16H24N4S/c17-15-7-2-1-5-13(20-15)12(14-6-4-10-21-14)11-19-16-8-3-9-18-16/h4,6,10,12-13H,1-3,5,7-9,11H2,(H2,17,20)(H,18,19)