(1S,6S)-N-(phenylmethyl)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S,6S)-N-(phenylmethyl)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6S)-N-benzyl-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S,6S)-6-[oxo-(4-quinazolinylhydrazo)methyl]-N-(phenylmethyl)-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6S)-N-benzyl-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6S)-N-benzyl-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=CC=C2)C(=O)NNC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NCC2=CC=CC=C2)C(=O)NNC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H23N5O2/c29-22(24-14-16-8-2-1-3-9-16)17-10-4-5-11-18(17)23(30)28-27-21-19-12-6-7-13-20(19)25-15-26-21/h1-9,12-13,15,17-18H,10-11,14H2,(H,24,29)(H,28,30)(H,25,26,27)/t17-,18-/m0/s1