[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CO4)C

InChI

InChI=1S/C23H27N3O2/c1-18-6-7-19(2)26(18)21-10-8-20(9-11-21)23(27)25-13-4-12-24(14-15-25)17-22-5-3-16-28-22/h3,5-11,16H,4,12-15,17H2,1-2H3