2-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-3-methyl-naphthalene-1,4-dione CAS Name: 2-[3-[4-(3-aminopropyl)-1-piperazinyl]propylamino]-3-methylnaphthalene-1,4-dione IUPAC Name: 2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-3-methylnaphthalene-1,4-dione Traditional Name: 2-[3-[4-(3-aminopropyl)piperazino]propylamino]-3-methyl-1,4-naphthoquinone Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)NCCCN3CCN(CC3)CCCN

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)NCCCN3CCN(CC3)CCCN

InChI

InChI=1S/C21H30N4O2/c1-16-19(21(27)18-7-3-2-6-17(18)20(16)26)23-9-5-11-25-14-12-24(13-15-25)10-4-8-22/h2-3,6-7,23H,4-5,8-15,22H2,1H3