(1S)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[4-(3-phenylpropylamino)-2-quinazolinyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]cyclohex-3-ene-1-carboxamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c30-25(20-13-5-2-6-14-20)27-18-23-28-22-16-8-7-15-21(22)24(29-23)26-17-9-12-19-10-3-1-4-11-19/h1-5,7-8,10-11,15-16,20H,6,9,12-14,17-18H2,(H,27,30)(H,26,28,29)/t20-/m1/s1