N-[[(2S,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-[[(2S,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[[(2S,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: N-[[(2S,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]-9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C1)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C1)C(C)C

InChI

InChI=1S/C22H28N4O2/c1-13(2)16-8-6-14(3)11-19(16)24-25-21(27)15-7-9-17-18(12-15)23-20-5-4-10-26(20)22(17)28/h7,9,12-14,16H,4-6,8,10-11H2,1-3H3,(H,25,27)/t14-,16-/m0/s1