[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-yl-2-thienyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[3-(1-pyrrolyl)-2-thiophenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Traditional Name: (4-p-anisyl-1,4-diazepan-1-yl)-(3-pyrrol-1-yl-2-thienyl)methanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-27-19-7-5-18(6-8-19)17-23-10-4-13-25(15-14-23)22(26)21-20(9-16-28-21)24-11-2-3-12-24/h2-3,5-9,11-12,16H,4,10,13-15,17H2,1H3