5-methyl-2-pyrrol-1-yl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]furan-3-carbonitrile

Systemtic Name: 5-methyl-2-pyrrol-1-yl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]furan-3-carbonitrile Openeye Name: 5-methyl-2-pyrrol-1-yl-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]furan-3-carbonitrile CAS Name: 5-methyl-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-2-pyrrol-1-yl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]furan-3-carbonitrile Traditional Name: 5-methyl-2-pyrrol-1-yl-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-3-furonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c1-16-19(18(14-22)21(27-16)25-8-2-3-9-25)20(26)24-10-5-7-23(11-12-24)15-17-6-4-13-28-17/h2-4,6,8-9,13H,5,7,10-12,15H2,1H3