[4-(phenylmethyl)-1,4-diazepan-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[3-(2-pyrimidylamino)phenyl]methanone Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c29-22(20-9-4-10-21(17-20)26-23-24-11-5-12-25-23)28-14-6-13-27(15-16-28)18-19-7-2-1-3-8-19/h1-5,7-12,17H,6,13-16,18H2,(H,24,25,26)