(4S)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine

Systemtic Name: (4S)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine Openeye Name: (4S)-1-(4,7-dimethylquinazolin-2-yl)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]azepan-4-amine CAS Name: (4S)-N-[(4R)-2,2-dimethyl-4-oxanyl]-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanamine IUPAC Name: (4S)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(4R)-2,2-dimethyltetrahydropyran-4-yl]amine Formula: C23H34N4O MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NC4CCOC(C4)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)N[C@@H]4CCOC(C4)(C)C)C

InChI

InChI=1S/C23H34N4O/c1-16-7-8-20-17(2)24-22(26-21(20)14-16)27-11-5-6-18(9-12-27)25-19-10-13-28-23(3,4)15-19/h7-8,14,18-19,25H,5-6,9-13,15H2,1-4H3/t18-,19+/m0/s1