4-[4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]butyl]-8-methyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]butyl]-8-methyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(3-amino-2-pyridyl)piperazin-1-yl]butyl]-8-methyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(3-amino-2-pyridinyl)-1-piperazinyl]butyl]-8-methyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(3-aminopyridin-2-yl)piperazin-1-yl]butyl]-8-methyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(3-amino-2-pyridyl)piperazino]butyl]-8-methyl-1,4-benzoxazepine-3,5-quinone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=C(C=CC=N4)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=C(C=CC=N4)N

InChI

InChI=1S/C23H29N5O3/c1-17-6-7-18-20(15-17)31-16-21(29)28(23(18)30)10-3-2-9-26-11-13-27(14-12-26)22-19(24)5-4-8-25-22/h4-8,15H,2-3,9-14,16,24H2,1H3