N-[(5-chloranylthiophen-2-yl)methyl]-3-(2-methylpropyl)-4-oxidanylidene-N-prop-2-enyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-3-(2-methylpropyl)-4-oxidanylidene-N-prop-2-enyl-phthalazine-1-carboxamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-3-(2-methylpropyl)-4-oxo-N-prop-2-enyl-1-phthalazinecarboxamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)-4-oxo-N-prop-2-enylphthalazine-1-carboxamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-4-11-24(13-15-9-10-18(22)28-15)21(27)19-16-7-5-6-8-17(16)20(26)25(23-19)12-14(2)3/h4-10,14H,1,11-13H2,2-3H3