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

Systemtic Name: 5-methyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 5-methyl-4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-pyrrol-1-yl-3-furonitrile Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

InChI

InChI=1S/C24H26N4O2/c1-18-6-8-20(9-7-18)17-26-10-5-13-27(15-14-26)23(29)22-19(2)30-24(21(22)16-25)28-11-3-4-12-28/h3-4,6-9,11-12H,5,10,13-15,17H2,1-2H3