(4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]phenyl]methanone

Systemtic Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]phenyl]methanone Openeye Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]phenyl]methanone CAS Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethyl-2-pyrimidinyl)-methylamino]phenyl]methanone IUPAC Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]methanone Traditional Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[4-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]phenyl]methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(C)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(C)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)C

InChI

InChI=1S/C23H31N5O/c1-17-16-18(2)25-23(24-17)26(3)20-10-8-19(9-11-20)22(29)28-13-5-12-27(14-15-28)21-6-4-7-21/h8-11,16,21H,4-7,12-15H2,1-3H3