N-[(2-nitrophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide

Systemtic Name: N-[(2-nitrophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide Openeye Name: 10-(1-methyl-2-pyrrolidin-1-yl-ethyl)-N-[(2-nitrophenyl)methyl]phenothiazine-2-carboxamide CAS Name: N-[(2-nitrophenyl)methyl]-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarboxamide IUPAC Name: N-[(2-nitrophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide Traditional Name: 10-(1-methyl-2-pyrrolidino-ethyl)-N-(2-nitrobenzyl)phenothiazine-2-carboxamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O3S/c1-19(18-29-14-6-7-15-29)30-23-10-4-5-11-25(23)35-26-13-12-20(16-24(26)30)27(32)28-17-21-8-2-3-9-22(21)31(33)34/h2-5,8-13,16,19H,6-7,14-15,17-18H2,1H3,(H,28,32)