5-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-1-(2-phenoxyethyl)azepan-2-one

Systemtic Name: 5-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-1-(2-phenoxyethyl)azepan-2-one Openeye Name: 5-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-1-(2-phenoxyethyl)azepan-2-one CAS Name: 5-[methyl-[2-(1-methyl-4-pyrazolyl)ethyl]amino]-1-(2-phenoxyethyl)-2-azepanone IUPAC Name: 5-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-1-(2-phenoxyethyl)azepan-2-one Traditional Name: 5-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-1-(2-phenoxyethyl)azepan-2-one Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCN(C)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CCN(C)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-23(12-10-18-16-22-24(2)17-18)19-8-9-21(26)25(13-11-19)14-15-27-20-6-4-3-5-7-20/h3-7,16-17,19H,8-15H2,1-2H3