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

Systemtic Name: 5-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-5-methyl-2-pyrrol-1-yl-3-furonitrile Formula: C23H24N4O2 MolecularWeight: 388.46226

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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=CC=C4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c1-18-21(20(16-24)23(29-18)27-11-5-6-12-27)22(28)26-13-7-10-25(14-15-26)17-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-15,17H2,1H3