1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-thiophen-3-ylcarbonyl-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-thiophen-3-ylcarbonyl-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-(thiophene-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[oxo(3-thiophenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(thiophene-3-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-(3-thenoyl)-1,4-diazepan-2-one Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=CSC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3=CSC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O3S/c1-24-9-17(8-23-24)10-25-11-19(29-14-16-2-5-22-6-3-16)12-26(13-20(25)27)21(28)18-4-7-30-15-18/h2-9,15,19H,10-14H2,1H3