3-tert-butyl-7-[3-(4-phenylpiperazin-1-yl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione

Systemtic Name: 3-tert-butyl-7-[3-(4-phenylpiperazin-1-yl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 3-tert-butyl-7-[3-(4-phenylpiperazin-1-yl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 3-tert-butyl-7-[3-(4-phenyl-1-piperazinyl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 3-tert-butyl-7-[3-(4-phenylpiperazin-1-yl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 3-tert-butyl-7-[3-(4-phenylpiperazino)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C37H38N4O3 MolecularWeight: 586.72262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC3=C(O2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)NCCCN6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC3=C(O2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)NCCCN6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C37H38N4O3/c1-37(2,3)24-14-15-28-30(22-24)44-31-23-29(32-33(34(31)39-28)36(43)27-13-8-7-12-26(27)35(32)42)38-16-9-17-40-18-20-41(21-19-40)25-10-5-4-6-11-25/h4-8,10-15,22-23,38-39H,9,16-21H2,1-3H3