1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-oxidanyl-4-oxidanylidene-pyran-2-yl)phenyl]urea

Systemtic Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-oxidanyl-4-oxidanylidene-pyran-2-yl)phenyl]urea Openeye Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-hydroxy-4-oxo-pyran-2-yl)phenyl]urea CAS Name: 1-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-hydroxy-4-oxo-2-pyranyl)phenyl]urea IUPAC Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea Traditional Name: 1-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(5-hydroxy-4-keto-pyran-2-yl)phenyl]urea Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=CC(=O)C(=CO4)O)N5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=CC(=O)C(=CO4)O)N5CCCCCC5

InChI

InChI=1S/C28H29N5O5/c1-32-21-12-5-4-11-20(21)26(33-13-6-2-3-7-14-33)30-25(27(32)36)31-28(37)29-19-10-8-9-18(15-19)24-16-22(34)23(35)17-38-24/h4-5,8-12,15-17,25,35H,2-3,6-7,13-14H2,1H3,(H2,29,31,37)