(7S)-2-azanyl-3,7-dimethyl-7-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]-5,6-dihydro-1,3-diazepin-4-one

Systemtic Name: (7S)-2-azanyl-3,7-dimethyl-7-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]-5,6-dihydro-1,3-diazepin-4-one Openeye Name: (7S)-2-amino-3,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridyl)phenyl]-5,6-dihydro-1,3-diazepin-4-one CAS Name: (7S)-2-amino-3,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5,6-dihydro-1,3-diazepin-4-one IUPAC Name: (7S)-2-amino-3,7-dimethyl-7-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]-5,6-dihydro-1,3-diazepin-4-one Traditional Name: (7S)-2-amino-3,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridyl)phenyl]-5,6-dihydro-1,3-diazepin-4-one Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)C3(CCC(=O)N(C(=N3)N)C)C

Isomeric SMILES

CC#CC1=CC(=CN=C1)C2=CC(=CC=C2)[C@@]3(CCC(=O)N(C(=N3)N)C)C

InChI

InChI=1S/C21H22N4O/c1-4-6-15-11-17(14-23-13-15)16-7-5-8-18(12-16)21(2)10-9-19(26)25(3)20(22)24-21/h5,7-8,11-14H,9-10H2,1-3H3,(H2,22,24)/t21-/m0/s1